2-[2-[ethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid

C11H18N4O2 — CID 83181383

IUPAC2-[2-[ethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid
SMILESCCN(C)CCNc1ncc(C(=O)O)c(C)n1
InChIInChI=1S/C11H18N4O2/c1-4-15(3)6-5-12-11-13-7-9(10(16)17)8(2)14-11/h7H,4-6H2,1-3H3,(H,16,17)(H,12,13,14)
InChIKeyDTTGWOYRMLMJQB-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.85
Rot. Bonds6

About 2-[2-[ethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid

2-[2-[ethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid (PubChem CID 83181383) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[2-[ethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-[ethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid
PubChem CID83181383
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-[2-[ethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid
SMILESCCN(C)CCNc1ncc(C(=O)O)c(C)n1
InChIInChI=1S/C11H18N4O2/c1-4-15(3)6-5-12-11-13-7-9(10(16)17)8(2)14-11/h7H,4-6H2,1-3H3,(H,16,17)(H,12,13,14)
InChIKeyDTTGWOYRMLMJQB-UHFFFAOYSA-N
XLogP0.85
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-[2-[ethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid (CID 83181383) is 2-[2-[ethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[2-[ethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[2-[ethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid is CCN(C)CCNc1ncc(C(=O)O)c(C)n1.
What is the InChIKey of 2-[2-[ethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is DTTGWOYRMLMJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-4-15(3)6-5-12-11-13-7-9(10(16)17)8(2)14-11/h7H,4-6H2,1-3H3,(H,16,17)(H,12,13,14).
What are the key properties of 2-[2-[ethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid?
2-[2-[ethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 83181383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).